[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-12(14-7-5-4-6-8-14)21-18(23)13(2)27-19(24)15-9-10-16(20-3)17(11-15)22(25)26/h4-13,20H,1-3H3,(H,21,23)